5483-0007 Screening compound: 3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid

5483-0007 Screening compound: 3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
5483-0007 Screening compound: 3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5483-0007
3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5483-0007

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid

IUPAC name

3-{1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid

SMILES

CCOC(c(cc1)ccc1-n1c(-c2ccccc2)ccc1CCC(O)=O)=O

InChI

InChI=1S/C22H21NO4/c1-2-27-22(26)17-8-10-18(11-9-17)23-19(13-15-21(24)25)12-14-20(23)16-6-4-3-5-7-16/h3-12,14H,2,13,15H2,1H3,(H,24,25)

InChI Key

XDYDHJYULJWBKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02197873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-4.38

Polar Surface Area

50.533

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5483-0007 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5483-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5483-0007?
Check Price and Availability of 5483-0007, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5483-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5483-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5483-0007
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5483-0007 available by request